Molecule

ID:90046

General Information
Structure
MolImage
Molecular Formula
C₃H₆Cl₂O₂S
Molecular Mass
177.04954
Exact Mass
175.94655579
Charge
0
InChI
InChI=1S/C3H6Cl2O2S/c4-2-1-3-8(5,6)7/h1-3H2
InChIKey
GPKDGVXBXQTHRY-UHFFFAOYSA-N
Canonic Smiles
ClCCCS(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(CCCCl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.68166155
LogD (pH = 7.4)
0.68166155
Log P
0.68166155
Molar Refractivity
34.4357
Polarizability
14.392434
Polar Surface Area
34.14
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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